1-(1H-pyrazol-4-ylmethyl)pyridin-2-one

C9H9N3O — CID 130569576

IUPAC1-(1H-pyrazol-4-ylmethyl)pyridin-2-one
SMILESO=c1ccccn1Cc1cn[nH]c1
InChIInChI=1S/C9H9N3O/c13-9-3-1-2-4-12(9)7-8-5-10-11-6-8/h1-6H,7H2,(H,10,11)
InChIKeyMJGJHLSOLPGRBS-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.62
Rot. Bonds2

About 1-(1H-pyrazol-4-ylmethyl)pyridin-2-one

1-(1H-pyrazol-4-ylmethyl)pyridin-2-one (PubChem CID 130569576) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylmethyl)pyridin-2-one
PubChem CID130569576
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-(1H-pyrazol-4-ylmethyl)pyridin-2-one
SMILESO=c1ccccn1Cc1cn[nH]c1
InChIInChI=1S/C9H9N3O/c13-9-3-1-2-4-12(9)7-8-5-10-11-6-8/h1-6H,7H2,(H,10,11)
InChIKeyMJGJHLSOLPGRBS-UHFFFAOYSA-N
XLogP0.62
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
CID 176960189
2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60999454
N-methyl-2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64053548
2-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
CID 23039107
N-prop-2-enyl-1H-pyrazole-4-carboxamide
CID 43582248
N,N-diethyl-1H-pyrazole-4-carboxamide
CID 43582299
N-ethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43583120
Pyrazole pyridinone
CID 70166724
N-methyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
CID 81815761
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one
CID 129212277
1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 138634709
1-[3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 138634711

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylmethyl)pyridin-2-one?
The IUPAC name of 1-(1H-pyrazol-4-ylmethyl)pyridin-2-one (CID 130569576) is 1-(1H-pyrazol-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 1-(1H-pyrazol-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 1-(1H-pyrazol-4-ylmethyl)pyridin-2-one is O=c1ccccn1Cc1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-ylmethyl)pyridin-2-one?
The InChIKey is MJGJHLSOLPGRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c13-9-3-1-2-4-12(9)7-8-5-10-11-6-8/h1-6H,7H2,(H,10,11).
What are the key properties of 1-(1H-pyrazol-4-ylmethyl)pyridin-2-one?
1-(1H-pyrazol-4-ylmethyl)pyridin-2-one has a molecular weight of 175.19 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 130569576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).